[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol

C12H15Cl2NO — CID 62371901

IUPAC[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H15Cl2NO/c13-11-2-1-3-12(14)10(11)7-15-5-4-9(6-15)8-16/h1-3,9,16H,4-8H2
InChIKeyMKKBRYSJMQGUCK-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.81
Rot. Bonds3

About [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol

[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 62371901) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID62371901
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H15Cl2NO/c13-11-2-1-3-12(14)10(11)7-15-5-4-9(6-15)8-16/h1-3,9,16H,4-8H2
InChIKeyMKKBRYSJMQGUCK-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 79037993
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
3-chloro-2-[(3,4-dimethylpiperidin-1-yl)methyl]phenol
CID 113346151
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62591510
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
3-bromo-1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine
CID 102960502
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 104816715

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol (CID 62371901) is [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol is OCC1CCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is MKKBRYSJMQGUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-2-1-3-12(14)10(11)7-15-5-4-9(6-15)8-16/h1-3,9,16H,4-8H2.
What are the key properties of [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 260.16 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62371901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).